5-methoxy-3-[(2-methyl-1,3-thiazol-4-yl)oxycarbonyl]-3-oxidanyl-5-oxidanylidene-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine

Systemtic Name: 5-methoxy-3-[(2-methyl-1,3-thiazol-4-yl)oxycarbonyl]-3-oxidanyl-5-oxidanylidene-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine Openeye Name: 3-hydroxy-5-methoxy-3-(2-methylthiazol-4-yl)oxycarbonyl-5-oxo-pentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine CAS Name: 3-hydroxy-5-methoxy-3-[(2-methyl-4-thiazolyl)oxy-oxomethyl]-5-oxopentanoic acid; (Z)-N-methyl-2-nitro-1-thionitroso-1-buten-1-amine IUPAC Name: 3-hydroxy-5-methoxy-3-[(2-methyl-1,3-thiazol-4-yl)oxycarbonyl]-5-oxopentanoic acid; (Z)-N-methyl-2-nitro-1-thionitrosobut-1-en-1-amine Traditional Name: 3-hydroxy-5-keto-5-methoxy-3-(2-methylthiazol-4-yl)oxycarbonyl-valeric acid; methyl-[(Z)-2-nitro-1-thionitroso-but-1-enyl]amine Formula: C16H22N4O9S2 MolecularWeight: 478.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(NC)N=S)[N+](=O)[O-].CC1=NC(=CS1)OC(=O)C(CC(=O)O)(CC(=O)OC)O

Isomeric SMILES

CC/C(=C(\NC)/N=S)/[N+](=O)[O-].CC1=NC(=CS1)OC(=O)C(CC(=O)O)(CC(=O)OC)O

InChI

InChI=1S/C11H13NO7S.C5H9N3O2S/c1-6-12-7(5-20-6)19-10(16)11(17,3-8(13)14)4-9(15)18-2;1-3-4(8(9)10)5(6-2)7-11/h5,17H,3-4H2,1-2H3,(H,13,14);6H,3H2,1-2H3/b;5-4-